# generated using pymatgen data_Nb6Zn3GaN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01542282 _cell_length_b 7.01381271 _cell_length_c 7.01614297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.09715147 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Zn3GaN2 _chemical_formula_sum 'Nb12 Zn6 Ga2 N4' _cell_volume 345.22784863 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.79386058 0.95669322 0.37422069 1.0 Nb Nb1 1 0.70689944 0.04357392 0.87544322 1.0 Nb Nb2 1 0.20613942 0.45669322 0.12577931 1.0 Nb Nb3 1 0.29310056 0.54357392 0.62455678 1.0 Nb Nb4 1 0.95652402 0.37453419 0.79323143 1.0 Nb Nb5 1 0.04347598 0.87453419 0.70676857 1.0 Nb Nb6 1 0.45646952 0.12480229 0.20639410 1.0 Nb Nb7 1 0.54353048 0.62480229 0.29360590 1.0 Nb Nb8 1 0.37407632 0.79381698 0.95686249 1.0 Nb Nb9 1 0.87569504 0.70682555 0.04393263 1.0 Nb Nb10 1 0.12430496 0.20682555 0.45606737 1.0 Nb Nb11 1 0.62592368 0.29381698 0.54313751 1.0 Zn Zn12 1 0.18310365 0.82140024 0.32361803 1.0 Zn Zn13 1 0.32458365 0.17964772 0.81801103 1.0 Zn Zn14 1 0.81689635 0.32140024 0.17638197 1.0 Zn Zn15 1 0.67541635 0.67964772 0.68198897 1.0 Zn Zn16 1 0.57071706 0.42878892 0.92788648 1.0 Zn Zn17 1 0.42928294 0.92878892 0.57211352 1.0 Ga Ga18 1 0.92732327 0.57232539 0.42857791 1.0 Ga Ga19 1 0.07267673 0.07232539 0.07142209 1.0 N N20 1 0.87461861 0.12345215 0.62487898 1.0 N N21 1 0.62396652 0.87413843 0.12435902 1.0 N N22 1 0.12538139 0.62345215 0.87512102 1.0 N N23 1 0.37603348 0.37413843 0.37564098 1.0